============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 11 0.840 -41.649 -42.725 -11.892 -99.200 -91.000 PHE 20 1.000 -26.223 -45.928 -5.173 -99.200 -91.000 HIS 29 0.900 -34.415 -58.793 9.181 -99.200 -91.000 PHE 85 1.000 -39.440 -66.422 -4.746 -99.200 -91.000 TYR 89 0.840 -27.991 -55.525 -12.372 -99.200 -91.000 TYR 101 0.840 -24.361 -52.177 -4.225 -99.200 -91.000 TRP 103 1.040 -27.917 -55.543 -2.881 -99.200 -91.000 TRP6 103 1.020 -26.827 -57.012 -1.324 -99.200 -91.000 HIS 104 0.900 -26.388 -61.258 -7.390 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jv6A17 MET 287 HA -0.00 -0.11 0.26 -0.75 4.52 3.92 2jv6A17 MET 287 HB2 -0.01 0.05 0.04 -0.04 2.15 2.19 2jv6A17 MET 287 HB3 -0.00 -0.11 -0.08 -0.04 2.03 1.79 2jv6A17 MET 287 HG2 -0.01 0.05 0.08 -0.04 2.63 2.71 2jv6A17 MET 287 HG3 -0.01 0.00 0.04 -0.04 2.56 2.56 2jv6A17 MET 287 HE3 0.00 0.02 0.04 -0.04 2.10 2.12 2jv6A17 SER 288 H 0.01 0.02 0.16 -0.55 8.46 8.11 2jv6A17 SER 288 HA 0.02 0.37 0.86 -0.75 4.49 4.99 2jv6A17 SER 288 HB2 0.03 0.00 0.19 -0.04 3.95 4.13 2jv6A17 SER 288 HB3 0.02 -0.02 0.17 -0.04 3.93 4.06 2jv6A17 ALA 289 H 0.01 0.04 -0.08 -0.55 8.40 7.82 2jv6A17 ALA 289 HA 0.01 0.04 0.23 -0.75 4.34 3.87 2jv6A17 ALA 289 HB3 0.00 0.01 0.11 -0.04 1.41 1.49 2jv6A17 LEU 290 H 0.02 0.69 -0.55 -0.55 8.37 7.98 2jv6A17 LEU 290 HA 0.01 0.07 0.64 -0.75 4.35 4.32 2jv6A17 LEU 290 HB2 0.00 0.07 -0.15 -0.04 1.64 1.53 2jv6A17 LEU 290 HB3 0.00 0.10 -0.05 -0.04 1.64 1.65 2jv6A17 LEU 290 HG 0.00 -0.16 -0.13 -0.04 1.64 1.31 2jv6A17 LEU 290 HD13 0.00 -0.01 0.08 -0.04 0.93 0.96 2jv6A17 LEU 290 HD23 -0.01 0.02 -0.00 -0.04 0.89 0.85 2jv6A17 THR 291 H 0.02 0.15 0.10 -0.55 8.28 8.00 2jv6A17 THR 291 HA 0.06 0.04 0.30 -0.75 4.39 4.03 2jv6A17 THR 291 HB 0.07 0.28 0.12 -0.04 4.32 4.75 2jv6A17 THR 291 HG23 0.03 0.00 0.07 -0.04 1.22 1.28 2jv6A17 LEU 292 H 0.03 0.06 -0.07 -0.55 8.37 7.85 2jv6A17 LEU 292 HA -0.06 0.03 0.18 -0.75 4.35 3.74 2jv6A17 LEU 292 HB2 -0.04 -0.03 0.08 -0.04 1.64 1.60 2jv6A17 LEU 292 HB3 -0.06 0.01 -0.01 -0.04 1.64 1.54 2jv6A17 LEU 292 HG -0.21 0.09 -0.01 -0.04 1.64 1.48 2jv6A17 LEU 292 HD13 -0.33 0.01 -0.05 -0.04 0.93 0.52 2jv6A17 LEU 292 HD23 -0.08 -0.00 0.02 -0.04 0.89 0.80 2jv6A17 LYS 293 H 0.04 0.47 -0.76 -0.55 8.42 7.62 2jv6A17 LYS 293 HA -0.02 0.12 0.70 -0.75 4.32 4.37 2jv6A17 LYS 293 HB2 0.01 0.01 0.22 -0.04 1.87 2.08 2jv6A17 LYS 293 HB3 0.01 0.14 0.19 -0.04 1.79 2.08 2jv6A17 LYS 293 HG2 -0.02 -0.21 -0.16 -0.04 1.46 1.03 2jv6A17 LYS 293 HG3 -0.01 0.10 0.01 -0.04 1.46 1.52 2jv6A17 LYS 293 HD2 -0.08 0.13 -0.37 -0.04 1.69 1.33 2jv6A17 LYS 293 HD3 -0.05 -0.15 -0.10 -0.04 1.68 1.34 2jv6A17 LYS 293 HE2 -0.02 0.27 0.05 -0.04 2.99 3.25 2jv6A17 LYS 293 HE3 -0.02 -0.07 0.03 -0.04 2.99 2.89 2jv6A17 GLY 294 H 0.25 0.28 -0.10 -0.55 8.43 8.32 2jv6A17 GLY 294 HA2 0.22 -0.00 0.34 -0.51 4.01 4.06 2jv6A17 GLY 294 HA3 0.10 0.08 0.50 -0.51 4.01 4.18 2jv6A17 THR 295 H 0.09 0.58 -0.40 -0.55 8.28 8.01 2jv6A17 THR 295 HA 0.03 -0.05 0.28 -0.75 4.39 3.91 2jv6A17 THR 295 HB 0.06 0.12 -0.08 -0.04 4.32 4.38 2jv6A17 THR 295 HG23 0.03 -0.05 -0.16 -0.04 1.22 1.00 2jv6A17 SER 296 H 0.15 0.72 -0.06 -0.55 8.46 8.72 2jv6A17 SER 296 HA -0.07 0.04 0.35 -0.75 4.49 4.05 2jv6A17 SER 296 HB2 0.03 -0.11 -0.05 -0.04 3.95 3.78 2jv6A17 SER 296 HB3 0.00 -0.07 -0.05 -0.04 3.93 3.77 2jv6A17 TYR 297 H -0.33 0.30 0.07 -0.55 8.29 7.78 2jv6A17 TYR 297 HA 0.00 0.06 0.41 -0.75 4.56 4.27 2jv6A17 TYR 297 HB2 0.00 0.03 -0.09 -0.04 3.06 2.96 2jv6A17 TYR 297 HB3 0.00 0.04 -0.20 -0.04 2.98 2.79 2jv6A17 TYR 297 HD2 0.01 0.08 -0.45 -0.04 7.15 6.74 2jv6A17 TYR 297 HE2 0.01 -0.10 -0.07 -0.04 6.85 6.64 2jv6A17 LYS 298 H 0.11 0.14 0.06 -0.55 8.42 8.17 2jv6A17 LYS 298 HA -0.01 0.09 0.70 -0.75 4.32 4.34 2jv6A17 LYS 298 HB2 0.02 -0.00 0.10 -0.04 1.87 1.94 2jv6A17 LYS 298 HB3 0.05 -0.09 0.19 -0.04 1.79 1.90 2jv6A17 LYS 298 HG2 0.02 -0.06 -0.03 -0.04 1.46 1.35 2jv6A17 LYS 298 HG3 0.03 0.14 0.02 -0.04 1.46 1.61 2jv6A17 LYS 298 HD2 -0.00 -0.07 0.04 -0.04 1.69 1.61 2jv6A17 LYS 298 HD3 0.00 -0.02 0.02 -0.04 1.68 1.65 2jv6A17 LYS 298 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 2jv6A17 LYS 298 HE3 -0.01 -0.10 0.03 -0.04 2.99 2.88 2jv6A17 MET 299 H -0.06 0.27 0.20 -0.55 8.47 8.33 2jv6A17 MET 299 HA 0.31 0.11 0.33 -0.75 4.52 4.52 2jv6A17 MET 299 HB2 0.13 0.05 0.01 -0.04 2.15 2.30 2jv6A17 MET 299 HB3 -0.18 0.07 0.07 -0.04 2.03 1.95 2jv6A17 MET 299 HG2 0.00 -0.04 -0.32 -0.04 2.63 2.23 2jv6A17 MET 299 HG3 -0.04 -0.01 -0.07 -0.04 2.56 2.40 2jv6A17 MET 299 HE3 -0.04 -0.01 -0.02 -0.04 2.10 1.99 2jv6A17 CYS 300 H 0.12 0.17 0.15 -0.55 8.50 8.39 2jv6A17 CYS 300 HA 0.03 0.10 0.72 -0.75 4.58 4.68 2jv6A17 CYS 300 HB2 0.04 -0.00 0.05 -0.04 2.97 3.02 2jv6A17 CYS 300 HB3 0.03 -0.00 0.05 -0.04 2.97 3.00 2jv6A17 THR 301 H 0.02 0.08 0.13 -0.55 8.28 7.96 2jv6A17 THR 301 HA 0.02 0.41 0.66 -0.75 4.39 4.72 2jv6A17 THR 301 HB 0.00 -0.09 0.12 -0.04 4.32 4.31 2jv6A17 THR 301 HG23 0.01 -0.00 -0.37 -0.04 1.22 0.82 2jv6A17 ASP 302 H 0.01 0.01 0.17 -0.55 8.40 8.04 2jv6A17 ASP 302 HA -0.00 0.11 0.83 -0.75 4.63 4.82 2jv6A17 ASP 302 HB2 0.00 -0.03 0.16 -0.04 2.71 2.79 2jv6A17 ASP 302 HB3 0.00 0.08 0.13 -0.04 2.70 2.86 2jv6A17 LYS 303 H -0.01 0.04 0.16 -0.55 8.42 8.06 2jv6A17 LYS 303 HA -0.02 0.03 0.30 -0.75 4.32 3.87 2jv6A17 LYS 303 HB2 -0.01 -0.08 0.20 -0.04 1.87 1.93 2jv6A17 LYS 303 HB3 -0.03 0.10 0.05 -0.04 1.79 1.88 2jv6A17 LYS 303 HG2 -0.02 0.04 0.00 -0.04 1.46 1.44 2jv6A17 LYS 303 HG3 -0.02 -0.01 0.02 -0.04 1.46 1.41 2jv6A17 LYS 303 HD2 -0.01 -0.01 0.06 -0.04 1.69 1.69 2jv6A17 LYS 303 HD3 -0.01 0.01 0.02 -0.04 1.68 1.65 2jv6A17 LYS 303 HE2 -0.01 -0.09 0.17 -0.04 2.99 3.02 2jv6A17 LYS 303 HE3 -0.01 -0.00 0.07 -0.04 2.99 3.01 2jv6A17 MET 304 H -0.03 0.51 0.38 -0.55 8.47 8.78 2jv6A17 MET 304 HA -0.03 0.15 0.79 -0.75 4.52 4.68 2jv6A17 MET 304 HB2 -0.03 0.16 0.20 -0.04 2.15 2.44 2jv6A17 MET 304 HB3 -0.03 -0.08 0.11 -0.04 2.03 1.99 2jv6A17 MET 304 HG2 -0.00 0.03 0.04 -0.04 2.63 2.66 2jv6A17 MET 304 HG3 -0.00 0.11 0.06 -0.04 2.56 2.69 2jv6A17 MET 304 HE3 0.02 0.02 -0.10 -0.04 2.10 2.00 2jv6A17 SER 305 H -0.05 0.55 0.36 -0.55 8.46 8.77 2jv6A17 SER 305 HA -0.34 0.05 0.30 -0.75 4.49 3.74 2jv6A17 SER 305 HB2 -0.07 -0.03 -0.14 -0.04 3.95 3.67 2jv6A17 SER 305 HB3 -0.14 0.02 0.01 -0.04 3.93 3.77 2jv6A17 PHE 306 H -0.63 0.17 0.11 -0.55 8.34 7.44 2jv6A17 PHE 306 HA 0.01 0.14 1.05 -0.75 4.62 5.07 2jv6A17 PHE 306 HB2 0.02 -0.10 -0.51 -0.04 3.15 2.51 2jv6A17 PHE 306 HB3 0.01 0.12 -0.04 -0.04 3.06 3.12 2jv6A17 PHE 306 HD2 0.06 0.01 -0.07 -0.04 7.28 7.24 2jv6A17 PHE 306 HE2 0.13 0.03 -0.18 -0.04 7.38 7.32 2jv6A17 PHE 306 HZ 0.17 0.15 -0.19 -0.04 7.32 7.41 2jv6A17 VAL 307 H 0.12 0.44 0.19 -0.55 8.24 8.44 2jv6A17 VAL 307 HA 0.07 0.08 0.57 -0.75 4.13 4.10 2jv6A17 VAL 307 HB 0.05 -0.04 -0.09 -0.04 2.12 1.99 2jv6A17 VAL 307 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.89 2jv6A17 VAL 307 HG23 0.03 0.00 -0.14 -0.04 0.95 0.80 2jv6A17 LYS 308 H 0.10 0.52 0.13 -0.55 8.42 8.61 2jv6A17 LYS 308 HA 0.04 0.10 0.52 -0.75 4.32 4.23 2jv6A17 LYS 308 HB2 0.01 0.05 -0.00 -0.04 1.87 1.88 2jv6A17 LYS 308 HB3 -0.00 -0.14 0.10 -0.04 1.79 1.71 2jv6A17 LYS 308 HG2 -0.07 0.30 -0.26 -0.04 1.46 1.39 2jv6A17 LYS 308 HG3 -0.03 -0.02 0.02 -0.04 1.46 1.39 2jv6A17 LYS 308 HD2 -0.02 -0.04 -0.06 -0.04 1.69 1.53 2jv6A17 LYS 308 HD3 -0.04 -0.09 -0.15 -0.04 1.68 1.36 2jv6A17 LYS 308 HE2 -0.04 -0.04 -0.04 -0.04 2.99 2.84 2jv6A17 LYS 308 HE3 -0.05 -0.07 -0.07 -0.04 2.99 2.76 2jv6A17 ASN 309 H -0.05 0.12 0.04 -0.55 8.53 8.10 2jv6A17 ASN 309 HA -0.81 0.04 0.41 -0.75 4.76 3.65 2jv6A17 ASN 309 HB2 -0.86 0.06 0.05 -0.04 2.88 2.09 2jv6A17 ASN 309 HB3 -0.20 -0.02 0.09 -0.04 2.79 2.62 2jv6A17 ASN 309 HD21 -0.92 0.26 -0.19 -0.04 7.03 6.14 2jv6A17 ASN 309 HD22 -0.15 -0.07 -0.08 -0.04 7.74 7.40 2jv6A17 PRO 310 HA -0.20 0.17 0.17 -0.51 4.44 4.07 2jv6A17 PRO 310 HB2 0.09 -0.00 -0.08 -0.04 2.28 2.24 2jv6A17 PRO 310 HB3 -0.10 -0.00 -0.15 -0.04 2.02 1.73 2jv6A17 PRO 310 HG2 -0.06 0.01 -0.03 -0.04 2.03 1.90 2jv6A17 PRO 310 HG3 -0.12 0.05 -0.07 -0.04 2.03 1.85 2jv6A17 PRO 310 HD2 -0.84 0.07 0.13 -0.04 3.68 3.00 2jv6A17 PRO 310 HD3 -0.85 0.12 0.14 -0.04 3.65 3.03 2jv6A17 THR 311 H -0.25 0.47 0.26 -0.55 8.28 8.22 2jv6A17 THR 311 HA -0.18 0.07 0.70 -0.75 4.39 4.23 2jv6A17 THR 311 HB -0.09 0.03 -0.00 -0.04 4.32 4.21 2jv6A17 THR 311 HG23 0.03 0.04 -0.14 -0.04 1.22 1.11 2jv6A17 ASP 312 H -2.35 0.16 0.13 -0.55 8.40 5.79 2jv6A17 ASP 312 HA -0.65 0.17 0.70 -0.75 4.63 4.10 2jv6A17 ASP 312 HB2 -1.30 0.01 0.14 -0.04 2.71 1.52 2jv6A17 ASP 312 HB3 -0.79 0.03 0.19 -0.04 2.70 2.10 2jv6A17 THR 313 H -0.22 0.68 0.39 -0.55 8.28 8.58 2jv6A17 THR 313 HA -0.06 0.18 0.60 -0.75 4.39 4.36 2jv6A17 THR 313 HB 0.07 0.05 0.11 -0.04 4.32 4.51 2jv6A17 THR 313 HG23 -0.11 0.03 -0.08 -0.04 1.22 1.01 2jv6A17 GLY 314 H -0.11 0.08 -0.15 -0.55 8.43 7.70 2jv6A17 GLY 314 HA2 -0.09 0.02 0.33 -0.51 4.01 3.76 2jv6A17 GLY 314 HA3 -0.14 0.19 0.57 -0.51 4.01 4.11 2jv6A17 HIS 315 H 0.08 0.04 -0.50 -0.55 8.41 7.49 2jv6A17 HIS 315 HA -0.03 0.22 0.56 -0.75 4.63 4.63 2jv6A17 HIS 315 HB2 -0.05 -0.06 -0.00 -0.04 3.26 3.11 2jv6A17 HIS 315 HB3 -0.03 0.04 0.12 -0.04 3.20 3.29 2jv6A17 HIS 315 HD2 -0.02 -0.00 -0.01 -0.04 6.97 6.89 2jv6A17 HIS 315 HE1 -0.03 0.01 0.03 -0.04 7.75 7.71 2jv6A17 GLY 316 H -0.02 0.06 -0.37 -0.55 8.43 7.55 2jv6A17 GLY 316 HA2 -0.00 0.03 0.25 -0.51 4.01 3.78 2jv6A17 GLY 316 HA3 0.01 0.17 0.63 -0.51 4.01 4.31 2jv6A17 THR 317 H -0.03 -0.15 -0.15 -0.55 8.28 7.41 2jv6A17 THR 317 HA -0.08 0.41 0.97 -0.75 4.39 4.94 2jv6A17 THR 317 HB -0.07 0.03 -0.00 -0.04 4.32 4.23 2jv6A17 THR 317 HG23 -0.03 0.06 -0.31 -0.04 1.22 0.89 2jv6A17 VAL 318 H -0.13 0.76 0.33 -0.55 8.24 8.65 2jv6A17 VAL 318 HA -0.37 0.15 0.70 -0.75 4.13 3.86 2jv6A17 VAL 318 HB -0.20 0.01 -0.00 -0.04 2.12 1.89 2jv6A17 VAL 318 HG13 -0.59 -0.03 -0.36 -0.04 0.97 -0.04 2jv6A17 VAL 318 HG23 -0.35 0.00 -0.28 -0.04 0.95 0.29 2jv6A17 VAL 319 H -0.24 0.69 0.27 -0.55 8.24 8.40 2jv6A17 VAL 319 HA -0.10 0.23 0.99 -0.75 4.13 4.49 2jv6A17 VAL 319 HB -0.11 -0.09 -0.04 -0.04 2.12 1.84 2jv6A17 VAL 319 HG13 -0.11 0.05 0.02 -0.04 0.97 0.89 2jv6A17 VAL 319 HG23 -0.07 0.01 -0.13 -0.04 0.95 0.72 2jv6A17 MET 320 H -0.07 0.76 0.41 -0.55 8.47 9.03 2jv6A17 MET 320 HA -0.08 0.25 0.58 -0.75 4.52 4.51 2jv6A17 MET 320 HB2 -0.03 0.12 -0.02 -0.04 2.15 2.17 2jv6A17 MET 320 HB3 -0.11 -0.09 -0.28 -0.04 2.03 1.51 2jv6A17 MET 320 HG2 -0.04 0.09 -0.02 -0.04 2.63 2.62 2jv6A17 MET 320 HG3 0.00 -0.06 -0.20 -0.04 2.56 2.26 2jv6A17 MET 320 HE3 0.01 0.00 -0.17 -0.04 2.10 1.90 2jv6A17 GLN 321 H 0.01 0.68 0.30 -0.55 8.47 8.91 2jv6A17 GLN 321 HA 0.01 0.31 0.97 -0.75 4.36 4.90 2jv6A17 GLN 321 HB2 0.03 -0.14 0.11 -0.04 2.15 2.11 2jv6A17 GLN 321 HB3 0.02 0.04 -0.02 -0.04 2.02 2.02 2jv6A17 GLN 321 HG2 -0.01 -0.02 -0.27 -0.04 2.40 2.06 2jv6A17 GLN 321 HG3 0.00 0.02 -0.10 -0.04 2.39 2.27 2jv6A17 GLN 321 HE21 0.01 0.01 -0.11 -0.04 6.97 6.83 2jv6A17 GLN 321 HE22 -0.00 -0.02 -0.09 -0.04 7.69 7.54 2jv6A17 VAL 322 H 0.03 0.71 0.37 -0.55 8.24 8.80 2jv6A17 VAL 322 HA 0.10 0.10 1.15 -0.75 4.13 4.72 2jv6A17 VAL 322 HB 0.07 0.10 0.03 -0.04 2.12 2.27 2jv6A17 VAL 322 HG13 0.17 -0.02 -0.25 -0.04 0.97 0.82 2jv6A17 VAL 322 HG23 0.03 0.01 -0.11 -0.04 0.95 0.84 2jv6A17 LYS 323 H 0.02 0.72 0.43 -0.55 8.42 9.04 2jv6A17 LYS 323 HA 0.01 0.28 1.06 -0.75 4.32 4.91 2jv6A17 LYS 323 HB2 0.02 -0.10 -0.14 -0.04 1.87 1.60 2jv6A17 LYS 323 HB3 0.01 -0.05 -0.02 -0.04 1.79 1.68 2jv6A17 LYS 323 HG2 0.00 0.02 -0.27 -0.04 1.46 1.16 2jv6A17 LYS 323 HG3 0.01 0.24 -0.03 -0.04 1.46 1.64 2jv6A17 LYS 323 HD2 0.01 -0.10 -0.05 -0.04 1.69 1.51 2jv6A17 LYS 323 HD3 0.00 -0.08 -0.09 -0.04 1.68 1.47 2jv6A17 LYS 323 HE2 0.00 -0.12 -0.01 -0.04 2.99 2.82 2jv6A17 LYS 323 HE3 0.00 0.07 0.03 -0.04 2.99 3.05 2jv6A17 VAL 324 H 0.01 0.73 0.21 -0.55 8.24 8.63 2jv6A17 VAL 324 HA -0.00 0.11 0.71 -0.75 4.13 4.20 2jv6A17 VAL 324 HB 0.01 0.08 0.03 -0.04 2.12 2.19 2jv6A17 VAL 324 HG13 0.01 -0.01 0.04 -0.04 0.97 0.96 2jv6A17 VAL 324 HG23 0.01 -0.02 -0.10 -0.04 0.95 0.80 2jv6A17 PRO 325 HA -0.00 0.15 0.80 -0.51 4.44 4.88 2jv6A17 PRO 325 HB2 -0.00 -0.07 -0.02 -0.04 2.28 2.15 2jv6A17 PRO 325 HB3 -0.00 0.04 -0.02 -0.04 2.02 2.00 2jv6A17 PRO 325 HG2 -0.01 -0.12 0.06 -0.04 2.03 1.92 2jv6A17 PRO 325 HG3 -0.01 0.22 -0.00 -0.04 2.03 2.20 2jv6A17 PRO 325 HD2 -0.00 -0.07 0.13 -0.04 3.68 3.70 2jv6A17 PRO 325 HD3 -0.01 0.24 -0.02 -0.04 3.65 3.82 2jv6A17 LYS 326 H -0.00 0.19 0.16 -0.55 8.42 8.22 2jv6A17 LYS 326 HA 0.00 0.11 0.67 -0.75 4.32 4.35 2jv6A17 LYS 326 HB2 0.00 -0.07 0.13 -0.04 1.87 1.90 2jv6A17 LYS 326 HB3 -0.00 0.09 -0.18 -0.04 1.79 1.66 2jv6A17 LYS 326 HG2 -0.00 -0.01 -0.14 -0.04 1.46 1.27 2jv6A17 LYS 326 HG3 -0.00 0.02 -0.03 -0.04 1.46 1.41 2jv6A17 LYS 326 HD2 -0.00 0.04 -0.09 -0.04 1.69 1.60 2jv6A17 LYS 326 HD3 -0.00 -0.04 0.03 -0.04 1.68 1.63 2jv6A17 LYS 326 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 2jv6A17 LYS 326 HE3 -0.00 0.04 -0.00 -0.04 2.99 2.98 2jv6A17 GLY 327 H 0.00 0.16 0.10 -0.55 8.43 8.14 2jv6A17 GLY 327 HA2 0.00 0.04 0.36 -0.51 4.01 3.90 2jv6A17 GLY 327 HA3 0.00 0.05 0.17 -0.51 4.01 3.72 2jv6A17 ALA 328 H 0.01 0.48 -0.23 -0.55 8.40 8.11 2jv6A17 ALA 328 HA 0.01 0.19 0.57 -0.75 4.34 4.36 2jv6A17 ALA 328 HB3 0.01 -0.02 0.12 -0.04 1.41 1.49 2jv6A17 PRO 329 HA 0.01 0.24 0.69 -0.51 4.44 4.87 2jv6A17 PRO 329 HB2 0.01 -0.01 -0.02 -0.04 2.28 2.22 2jv6A17 PRO 329 HB3 0.01 0.02 0.06 -0.04 2.02 2.06 2jv6A17 PRO 329 HG2 0.01 0.01 0.16 -0.04 2.03 2.17 2jv6A17 PRO 329 HG3 0.01 0.01 0.07 -0.04 2.03 2.07 2jv6A17 PRO 329 HD2 0.01 0.10 0.35 -0.04 3.68 4.10 2jv6A17 PRO 329 HD3 0.01 0.15 -0.01 -0.04 3.65 3.75 2jv6A17 CYS 330 H 0.02 0.16 0.01 -0.55 8.50 8.14 2jv6A17 CYS 330 HA 0.04 0.18 0.54 -0.75 4.58 4.60 2jv6A17 CYS 330 HB2 0.07 0.09 -0.43 -0.04 2.97 2.66 2jv6A17 CYS 330 HB3 0.04 0.28 -0.77 -0.04 2.97 2.48 2jv6A17 LYS 331 H 0.08 0.72 0.18 -0.55 8.42 8.85 2jv6A17 LYS 331 HA 0.02 0.25 0.84 -0.75 4.32 4.69 2jv6A17 LYS 331 HB2 0.11 -0.07 0.08 -0.04 1.87 1.96 2jv6A17 LYS 331 HB3 0.01 0.07 -0.02 -0.04 1.79 1.82 2jv6A17 LYS 331 HG2 0.05 -0.08 0.05 -0.04 1.46 1.44 2jv6A17 LYS 331 HG3 0.06 -0.05 0.04 -0.04 1.46 1.47 2jv6A17 LYS 331 HD2 0.02 0.04 -0.00 -0.04 1.69 1.71 2jv6A17 LYS 331 HD3 0.02 -0.06 -0.03 -0.04 1.68 1.56 2jv6A17 LYS 331 HE2 0.01 -0.05 -0.05 -0.04 2.99 2.86 2jv6A17 LYS 331 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.86 2jv6A17 ILE 332 H 0.00 0.28 -0.04 -0.55 8.25 7.94 2jv6A17 ILE 332 HA 0.02 0.03 0.03 -0.75 4.18 3.51 2jv6A17 ILE 332 HB 0.01 0.04 -0.08 -0.04 1.89 1.82 2jv6A17 ILE 332 HG12 0.00 -0.02 -0.12 -0.04 1.49 1.31 2jv6A17 ILE 332 HG13 -0.01 -0.02 -0.00 -0.04 1.21 1.13 2jv6A17 ILE 332 HG23 0.01 0.01 -0.15 -0.04 0.93 0.76 2jv6A17 ILE 332 HD13 0.00 0.01 -0.31 -0.04 0.88 0.55 2jv6A17 PRO 333 HA -0.29 0.10 0.32 -0.51 4.44 4.05 2jv6A17 PRO 333 HB2 0.05 -0.13 0.03 -0.04 2.28 2.19 2jv6A17 PRO 333 HB3 0.09 0.10 -0.05 -0.04 2.02 2.12 2jv6A17 PRO 333 HG2 0.11 0.10 0.14 -0.04 2.03 2.34 2jv6A17 PRO 333 HG3 0.27 0.01 0.14 -0.04 2.03 2.41 2jv6A17 PRO 333 HD2 0.04 0.08 0.18 -0.04 3.68 3.94 2jv6A17 PRO 333 HD3 0.07 0.15 0.21 -0.04 3.65 4.05 2jv6A17 VAL 334 H -0.20 0.25 0.20 -0.55 8.24 7.94 2jv6A17 VAL 334 HA -0.01 0.20 0.92 -0.75 4.13 4.50 2jv6A17 VAL 334 HB -0.07 -0.01 0.12 -0.04 2.12 2.12 2jv6A17 VAL 334 HG13 -0.02 -0.02 -0.19 -0.04 0.97 0.70 2jv6A17 VAL 334 HG23 -0.02 0.03 -0.19 -0.04 0.95 0.73 2jv6A17 ILE 335 H 0.02 0.77 0.29 -0.55 8.25 8.78 2jv6A17 ILE 335 HA -0.01 0.19 0.78 -0.75 4.18 4.39 2jv6A17 ILE 335 HB 0.04 -0.11 -0.11 -0.04 1.89 1.67 2jv6A17 ILE 335 HG12 0.04 0.11 -0.14 -0.04 1.49 1.46 2jv6A17 ILE 335 HG13 0.06 0.03 -0.17 -0.04 1.21 1.09 2jv6A17 ILE 335 HG23 0.02 0.04 -0.03 -0.04 0.93 0.91 2jv6A17 ILE 335 HD13 0.03 -0.00 -0.33 -0.04 0.88 0.53 2jv6A17 VAL 336 H 0.03 0.26 0.08 -0.55 8.24 8.06 2jv6A17 VAL 336 HA 0.08 0.24 0.90 -0.75 4.13 4.58 2jv6A17 VAL 336 HB 0.01 -0.15 0.13 -0.04 2.12 2.08 2jv6A17 VAL 336 HG13 0.03 0.01 -0.13 -0.04 0.97 0.84 2jv6A17 VAL 336 HG23 0.01 0.02 -0.34 -0.04 0.95 0.60 2jv6A17 ALA 337 H 0.12 0.72 0.29 -0.55 8.40 8.98 2jv6A17 ALA 337 HA 0.06 0.39 1.00 -0.75 4.34 5.04 2jv6A17 ALA 337 HB3 0.07 -0.04 -0.11 -0.04 1.41 1.28 2jv6A17 ASP 338 H 0.09 0.20 0.21 -0.55 8.40 8.36 2jv6A17 ASP 338 HA 0.28 0.18 0.77 -0.75 4.63 5.10 2jv6A17 ASP 338 HB2 0.08 0.01 0.08 -0.04 2.71 2.84 2jv6A17 ASP 338 HB3 0.11 0.03 0.13 -0.04 2.70 2.94 2jv6A17 ASP 339 H 0.08 -0.01 0.01 -0.55 8.40 7.93 2jv6A17 ASP 339 HA -0.01 0.31 0.52 -0.75 4.63 4.70 2jv6A17 ASP 339 HB2 -0.00 0.14 0.14 -0.04 2.71 2.94 2jv6A17 ASP 339 HB3 0.03 0.11 -0.07 -0.04 2.70 2.73 2jv6A17 LEU 340 H -0.19 0.13 -0.15 -0.55 8.37 7.61 2jv6A17 LEU 340 HA -0.25 0.06 0.19 -0.75 4.35 3.59 2jv6A17 LEU 340 HB2 -0.18 0.16 -0.07 -0.04 1.64 1.51 2jv6A17 LEU 340 HB3 -0.18 0.07 0.03 -0.04 1.64 1.52 2jv6A17 LEU 340 HG -0.82 -0.06 -0.20 -0.04 1.64 0.52 2jv6A17 LEU 340 HD13 -0.21 0.02 -0.08 -0.04 0.93 0.61 2jv6A17 LEU 340 HD23 -0.59 0.01 -0.06 -0.04 0.89 0.20 2jv6A17 THR 341 H -0.04 0.07 -0.84 -0.55 8.28 6.93 2jv6A17 THR 341 HA -0.01 0.30 0.66 -0.75 4.39 4.58 2jv6A17 THR 341 HB -0.02 0.06 -0.07 -0.04 4.32 4.25 2jv6A17 THR 341 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.09 2jv6A17 ALA 342 H 0.01 -0.21 -0.15 -0.55 8.40 7.50 2jv6A17 ALA 342 HA 0.04 -0.11 0.04 -0.75 4.34 3.55 2jv6A17 ALA 342 HB3 0.05 0.07 -0.03 -0.04 1.41 1.47 2jv6A17 ALA 343 H 0.02 -0.16 -0.09 -0.55 8.40 7.62 2jv6A17 ALA 343 HA 0.02 0.21 0.54 -0.75 4.34 4.35 2jv6A17 ALA 343 HB3 0.01 0.00 0.04 -0.04 1.41 1.43 2jv6A17 ILE 344 H 0.03 -0.13 -0.10 -0.55 8.25 7.50 2jv6A17 ILE 344 HA 0.02 0.26 0.76 -0.75 4.18 4.47 2jv6A17 ILE 344 HB 0.03 -0.17 0.14 -0.04 1.89 1.85 2jv6A17 ILE 344 HG12 0.02 -0.15 -0.12 -0.04 1.49 1.21 2jv6A17 ILE 344 HG13 0.02 0.04 -0.05 -0.04 1.21 1.18 2jv6A17 ILE 344 HG23 0.02 0.05 -0.15 -0.04 0.93 0.80 2jv6A17 ILE 344 HD13 0.02 0.07 -0.19 -0.04 0.88 0.75 2jv6A17 ASN 345 H 0.03 0.25 -0.10 -0.55 8.53 8.17 2jv6A17 ASN 345 HA 0.03 0.06 0.64 -0.75 4.76 4.74 2jv6A17 ASN 345 HB2 0.03 -0.08 -0.04 -0.04 2.88 2.76 2jv6A17 ASN 345 HB3 0.02 0.10 -0.05 -0.04 2.79 2.82 2jv6A17 ASN 345 HD21 0.00 0.54 -0.04 -0.04 7.03 7.50 2jv6A17 ASN 345 HD22 -0.01 0.57 0.01 -0.04 7.74 8.27 2jv6A17 LYS 346 H 0.02 0.52 0.51 -0.55 8.42 8.92 2jv6A17 LYS 346 HA -0.01 -0.00 0.49 -0.75 4.32 4.05 2jv6A17 LYS 346 HB2 0.02 -0.05 0.02 -0.04 1.87 1.82 2jv6A17 LYS 346 HB3 -0.01 0.02 -0.01 -0.04 1.79 1.75 2jv6A17 LYS 346 HG2 0.02 -0.02 0.03 -0.04 1.46 1.46 2jv6A17 LYS 346 HG3 0.03 -0.09 -0.09 -0.04 1.46 1.27 2jv6A17 LYS 346 HD2 -0.02 0.05 0.02 -0.04 1.69 1.70 2jv6A17 LYS 346 HD3 0.01 -0.09 -0.03 -0.04 1.68 1.53 2jv6A17 LYS 346 HE2 -0.01 0.05 -0.05 -0.04 2.99 2.94 2jv6A17 LYS 346 HE3 -0.03 0.00 -0.05 -0.04 2.99 2.87 2jv6A17 GLY 347 H 0.00 -0.01 0.09 -0.55 8.43 7.96 2jv6A17 GLY 347 HA2 -0.03 0.17 0.40 -0.51 4.01 4.04 2jv6A17 GLY 347 HA3 -0.02 -0.11 0.23 -0.51 4.01 3.61 2jv6A17 ILE 348 H -0.03 0.60 0.28 -0.55 8.25 8.55 2jv6A17 ILE 348 HA -0.02 0.18 0.76 -0.75 4.18 4.33 2jv6A17 ILE 348 HB -0.03 0.05 0.06 -0.04 1.89 1.94 2jv6A17 ILE 348 HG12 -0.02 0.19 -0.28 -0.04 1.49 1.34 2jv6A17 ILE 348 HG13 -0.02 -0.04 -0.05 -0.04 1.21 1.06 2jv6A17 ILE 348 HG23 -0.02 -0.03 -0.14 -0.04 0.93 0.69 2jv6A17 ILE 348 HD13 -0.02 -0.01 0.01 -0.04 0.88 0.82 2jv6A17 LEU 349 H -0.03 0.18 0.16 -0.55 8.37 8.13 2jv6A17 LEU 349 HA -0.03 0.11 0.89 -0.75 4.35 4.57 2jv6A17 LEU 349 HB2 -0.03 -0.04 0.18 -0.04 1.64 1.71 2jv6A17 LEU 349 HB3 -0.03 0.14 0.06 -0.04 1.64 1.77 2jv6A17 LEU 349 HG -0.04 -0.03 0.08 -0.04 1.64 1.61 2jv6A17 LEU 349 HD13 -0.04 0.04 0.04 -0.04 0.93 0.93 2jv6A17 LEU 349 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72 2jv6A17 VAL 350 H -0.04 0.60 0.27 -0.55 8.24 8.53 2jv6A17 VAL 350 HA -0.03 0.15 0.63 -0.75 4.13 4.13 2jv6A17 VAL 350 HB -0.04 -0.05 -0.14 -0.04 2.12 1.85 2jv6A17 VAL 350 HG13 -0.04 -0.01 -0.07 -0.04 0.97 0.81 2jv6A17 VAL 350 HG23 -0.04 -0.01 -0.33 -0.04 0.95 0.53 2jv6A17 THR 351 H -0.03 0.18 0.10 -0.55 8.28 7.98 2jv6A17 THR 351 HA -0.02 0.20 0.71 -0.75 4.39 4.52 2jv6A17 THR 351 HB -0.03 0.03 -0.16 -0.04 4.32 4.12 2jv6A17 THR 351 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.14 2jv6A17 VAL 352 H -0.02 0.13 0.10 -0.55 8.24 7.90 2jv6A17 VAL 352 HA -0.02 0.05 0.34 -0.75 4.13 3.75 2jv6A17 VAL 352 HB -0.01 0.05 -0.02 -0.04 2.12 2.10 2jv6A17 VAL 352 HG13 -0.01 0.00 0.02 -0.04 0.97 0.94 2jv6A17 VAL 352 HG23 -0.01 -0.00 0.12 -0.04 0.95 1.01 2jv6A17 ASN 353 H -0.02 0.20 0.32 -0.55 8.53 8.48 2jv6A17 ASN 353 HA -0.02 0.07 0.53 -0.75 4.76 4.59 2jv6A17 ASN 353 HB2 -0.04 0.01 0.17 -0.04 2.88 2.97 2jv6A17 ASN 353 HB3 -0.03 -0.07 0.19 -0.04 2.79 2.83 2jv6A17 ASN 353 HD21 -0.04 -0.10 0.01 -0.04 7.03 6.85 2jv6A17 ASN 353 HD22 -0.06 0.64 0.06 -0.04 7.74 8.33 2jv6A17 PRO 354 HA -0.00 0.10 0.27 -0.51 4.44 4.29 2jv6A17 PRO 354 HB2 0.00 -0.04 0.03 -0.04 2.28 2.24 2jv6A17 PRO 354 HB3 -0.00 0.08 0.07 -0.04 2.02 2.12 2jv6A17 PRO 354 HG2 -0.00 -0.04 -0.13 -0.04 2.03 1.82 2jv6A17 PRO 354 HG3 -0.00 0.03 -0.07 -0.04 2.03 1.95 2jv6A17 PRO 354 HD2 -0.01 0.07 0.14 -0.04 3.68 3.84 2jv6A17 PRO 354 HD3 -0.01 0.27 0.24 -0.04 3.65 4.11 2jv6A17 ILE 355 H 0.00 0.20 0.15 -0.55 8.25 8.05 2jv6A17 ILE 355 HA 0.01 0.32 0.83 -0.75 4.18 4.60 2jv6A17 ILE 355 HB 0.02 0.06 -0.02 -0.04 1.89 1.90 2jv6A17 ILE 355 HG12 0.01 0.01 -0.08 -0.04 1.49 1.39 2jv6A17 ILE 355 HG13 0.01 -0.11 -0.13 -0.04 1.21 0.94 2jv6A17 ILE 355 HG23 0.01 0.02 -0.07 -0.04 0.93 0.84 2jv6A17 ILE 355 HD13 0.01 0.00 -0.32 -0.04 0.88 0.54 2jv6A17 ALA 356 H 0.01 0.77 0.18 -0.55 8.40 8.82 2jv6A17 ALA 356 HA 0.01 0.06 0.42 -0.75 4.34 4.08 2jv6A17 ALA 356 HB3 0.01 -0.00 0.11 -0.04 1.41 1.49 2jv6A17 SER 357 H 0.01 0.66 0.15 -0.55 8.46 8.73 2jv6A17 SER 357 HA 0.01 0.06 0.43 -0.75 4.49 4.24 2jv6A17 SER 357 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 2jv6A17 SER 357 HB3 0.00 0.01 0.07 -0.04 3.93 3.98 2jv6A17 THR 358 H 0.01 0.13 -0.42 -0.55 8.28 7.44 2jv6A17 THR 358 HA 0.00 0.10 0.41 -0.75 4.39 4.14 2jv6A17 THR 358 HB 0.00 -0.02 0.01 -0.04 4.32 4.27 2jv6A17 THR 358 HG23 0.00 0.02 -0.05 -0.04 1.22 1.15 2jv6A17 ASN 359 H 0.00 0.17 -0.05 -0.55 8.53 8.10 2jv6A17 ASN 359 HA 0.01 0.20 0.04 -0.75 4.76 4.26 2jv6A17 ASN 359 HB2 0.00 0.07 -0.09 -0.04 2.88 2.83 2jv6A17 ASN 359 HB3 0.00 -0.05 -0.35 -0.04 2.79 2.35 2jv6A17 ASN 359 HD21 0.01 0.48 -0.54 -0.04 7.03 6.94 2jv6A17 ASN 359 HD22 0.01 0.01 -0.50 -0.04 7.74 7.22 2jv6A17 ASP 360 H 0.00 -0.06 -0.58 -0.55 8.40 7.21 2jv6A17 ASP 360 HA 0.00 0.31 0.63 -0.75 4.63 4.82 2jv6A17 ASP 360 HB2 0.00 -0.04 0.08 -0.04 2.71 2.71 2jv6A17 ASP 360 HB3 0.00 -0.07 -0.03 -0.04 2.70 2.57 2jv6A17 ASP 361 H 0.00 0.31 -0.31 -0.55 8.40 7.86 2jv6A17 ASP 361 HA 0.00 -0.07 0.38 -0.75 4.63 4.19 2jv6A17 ASP 361 HB2 0.01 0.05 0.12 -0.04 2.71 2.84 2jv6A17 ASP 361 HB3 0.01 -0.00 0.03 -0.04 2.70 2.70 2jv6A17 GLU 362 H 0.01 0.15 0.27 -0.55 8.60 8.48 2jv6A17 GLU 362 HA 0.01 0.29 0.95 -0.75 4.29 4.78 2jv6A17 GLU 362 HB2 0.01 0.01 0.10 -0.04 2.09 2.17 2jv6A17 GLU 362 HB3 0.01 0.10 0.08 -0.04 1.99 2.14 2jv6A17 GLU 362 HG2 0.01 -0.02 0.09 -0.04 2.34 2.38 2jv6A17 GLU 362 HG3 0.01 -0.05 -0.13 -0.04 2.34 2.13 2jv6A17 VAL 363 H 0.01 0.71 0.38 -0.55 8.24 8.79 2jv6A17 VAL 363 HA 0.00 0.09 0.89 -0.75 4.13 4.35 2jv6A17 VAL 363 HB 0.00 0.01 -0.41 -0.04 2.12 1.68 2jv6A17 VAL 363 HG13 0.01 0.01 -0.15 -0.04 0.97 0.79 2jv6A17 VAL 363 HG23 -0.01 0.04 -0.05 -0.04 0.95 0.89 2jv6A17 LEU 364 H -0.01 0.16 0.20 -0.55 8.37 8.18 2jv6A17 LEU 364 HA -0.01 0.21 0.86 -0.75 4.35 4.66 2jv6A17 LEU 364 HB2 -0.01 -0.01 0.13 -0.04 1.64 1.71 2jv6A17 LEU 364 HB3 -0.02 -0.02 0.20 -0.04 1.64 1.76 2jv6A17 LEU 364 HG -0.03 -0.02 -0.02 -0.04 1.64 1.53 2jv6A17 LEU 364 HD13 -0.03 -0.02 -0.24 -0.04 0.93 0.59 2jv6A17 LEU 364 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.77 2jv6A17 ILE 365 H -0.02 0.78 0.34 -0.55 8.25 8.80 2jv6A17 ILE 365 HA -0.03 0.08 0.74 -0.75 4.18 4.22 2jv6A17 ILE 365 HB -0.01 -0.01 -0.07 -0.04 1.89 1.76 2jv6A17 ILE 365 HG12 -0.02 0.10 -0.20 -0.04 1.49 1.33 2jv6A17 ILE 365 HG13 -0.01 -0.08 -0.70 -0.04 1.21 0.39 2jv6A17 ILE 365 HG23 -0.03 -0.01 -0.23 -0.04 0.93 0.62 2jv6A17 ILE 365 HD13 -0.01 -0.00 -0.13 -0.04 0.88 0.69 2jv6A17 GLU 366 H -0.04 0.16 0.14 -0.55 8.60 8.32 2jv6A17 GLU 366 HA -0.07 0.31 0.92 -0.75 4.29 4.69 2jv6A17 GLU 366 HB2 -0.05 -0.05 0.02 -0.04 2.09 1.97 2jv6A17 GLU 366 HB3 -0.06 0.05 -0.09 -0.04 1.99 1.84 2jv6A17 GLU 366 HG2 -0.08 0.02 -0.09 -0.04 2.34 2.14 2jv6A17 GLU 366 HG3 -0.06 -0.02 -0.15 -0.04 2.34 2.07 2jv6A17 VAL 367 H -0.08 0.68 0.34 -0.55 8.24 8.63 2jv6A17 VAL 367 HA -0.04 0.12 0.95 -0.75 4.13 4.40 2jv6A17 VAL 367 HB -0.03 0.09 -0.04 -0.04 2.12 2.10 2jv6A17 VAL 367 HG13 -0.03 -0.01 -0.22 -0.04 0.97 0.68 2jv6A17 VAL 367 HG23 -0.05 0.00 -0.11 -0.04 0.95 0.75 2jv6A17 ASN 368 H -0.04 0.76 0.20 -0.55 8.53 8.91 2jv6A17 ASN 368 HA -0.05 0.26 0.93 -0.75 4.76 5.15 2jv6A17 ASN 368 HB2 -0.03 -0.03 -0.08 -0.04 2.88 2.69 2jv6A17 ASN 368 HB3 -0.03 -0.08 0.05 -0.04 2.79 2.69 2jv6A17 ASN 368 HD21 -0.03 0.62 0.20 -0.04 7.03 7.78 2jv6A17 ASN 368 HD22 -0.03 -0.10 -0.04 -0.04 7.74 7.53 2jv6A17 PRO 369 HA -0.03 0.05 0.62 -0.51 4.44 4.57 2jv6A17 PRO 369 HB2 -0.01 0.25 -0.15 -0.04 2.28 2.33 2jv6A17 PRO 369 HB3 -0.01 -0.12 -0.06 -0.04 2.02 1.79 2jv6A17 PRO 369 HG2 -0.03 0.10 -0.16 -0.04 2.03 1.90 2jv6A17 PRO 369 HG3 -0.04 -0.09 -0.17 -0.04 2.03 1.69 2jv6A17 PRO 369 HD2 -0.06 0.21 0.11 -0.04 3.68 3.90 2jv6A17 PRO 369 HD3 -0.07 0.04 -0.18 -0.04 3.65 3.39 2jv6A17 PRO 370 HA -0.25 0.05 0.52 -0.51 4.44 4.26 2jv6A17 PRO 370 HB2 -0.22 0.17 -0.11 -0.04 2.28 2.08 2jv6A17 PRO 370 HB3 -0.46 -0.04 0.10 -0.04 2.02 1.58 2jv6A17 PRO 370 HG2 -0.10 -0.00 0.01 -0.04 2.03 1.89 2jv6A17 PRO 370 HG3 -0.14 0.12 0.02 -0.04 2.03 1.99 2jv6A17 PRO 370 HD2 -0.05 0.06 0.01 -0.04 3.68 3.66 2jv6A17 PRO 370 HD3 -0.06 0.16 -0.15 -0.04 3.65 3.56 2jv6A17 PHE 371 H -0.75 0.07 0.08 -0.55 8.34 7.18 2jv6A17 PHE 371 HA 0.02 -0.01 0.49 -0.75 4.62 4.37 2jv6A17 PHE 371 HB2 0.02 0.17 0.02 -0.04 3.15 3.31 2jv6A17 PHE 371 HB3 0.01 -0.02 0.09 -0.04 3.06 3.09 2jv6A17 PHE 371 HD2 0.01 0.02 -0.07 -0.04 7.28 7.20 2jv6A17 PHE 371 HE2 0.01 -0.01 0.01 -0.04 7.38 7.35 2jv6A17 PHE 371 HZ 0.01 -0.01 0.01 -0.04 7.32 7.29 2jv6A17 GLY 372 H 0.19 0.34 -0.27 -0.55 8.43 8.14 2jv6A17 GLY 372 HA2 0.13 -0.03 -0.09 -0.51 4.01 3.51 2jv6A17 GLY 372 HA3 0.12 0.17 0.69 -0.51 4.01 4.49 2jv6A17 ASP 373 H 0.09 0.06 0.16 -0.55 8.40 8.16 2jv6A17 ASP 373 HA 0.08 0.03 0.62 -0.75 4.63 4.61 2jv6A17 ASP 373 HB2 0.06 0.04 0.13 -0.04 2.71 2.89 2jv6A17 ASP 373 HB3 0.01 0.09 0.19 -0.04 2.70 2.95 2jv6A17 SER 374 H -0.18 0.64 0.41 -0.55 8.46 8.77 2jv6A17 SER 374 HA 0.01 0.11 0.22 -0.75 4.49 4.07 2jv6A17 SER 374 HB2 0.04 -0.06 -0.18 -0.04 3.95 3.70 2jv6A17 SER 374 HB3 0.05 -0.07 -0.06 -0.04 3.93 3.81 2jv6A17 TYR 375 H 0.15 0.74 0.32 -0.55 8.29 8.95 2jv6A17 TYR 375 HA 0.05 0.16 0.69 -0.75 4.56 4.71 2jv6A17 TYR 375 HB2 0.03 -0.16 -0.01 -0.04 3.06 2.87 2jv6A17 TYR 375 HB3 0.04 0.10 -0.13 -0.04 2.98 2.95 2jv6A17 TYR 375 HD2 -0.01 -0.04 -0.22 -0.04 7.15 6.84 2jv6A17 TYR 375 HE2 -0.03 0.06 -0.06 -0.04 6.85 6.79 2jv6A17 ILE 376 H 0.23 0.66 0.22 -0.55 8.25 8.80 2jv6A17 ILE 376 HA 0.12 0.13 0.85 -0.75 4.18 4.53 2jv6A17 ILE 376 HB 0.18 -0.04 0.09 -0.04 1.89 2.08 2jv6A17 ILE 376 HG12 0.33 0.10 -0.01 -0.04 1.49 1.87 2jv6A17 ILE 376 HG13 0.09 -0.03 -0.10 -0.04 1.21 1.14 2jv6A17 ILE 376 HG23 0.07 0.02 -0.10 -0.04 0.93 0.87 2jv6A17 ILE 376 HD13 0.06 -0.02 -0.17 -0.04 0.88 0.71 2jv6A17 ILE 377 H 0.11 0.83 0.31 -0.55 8.25 8.95 2jv6A17 ILE 377 HA 0.17 0.22 0.90 -0.75 4.18 4.72 2jv6A17 ILE 377 HB 0.08 -0.11 -0.13 -0.04 1.89 1.69 2jv6A17 ILE 377 HG12 0.09 0.11 -0.29 -0.04 1.49 1.36 2jv6A17 ILE 377 HG13 0.14 -0.05 -0.77 -0.04 1.21 0.49 2jv6A17 ILE 377 HG23 0.06 0.05 -0.33 -0.04 0.93 0.67 2jv6A17 ILE 377 HD13 0.05 -0.07 -0.47 -0.04 0.88 0.35 2jv6A17 VAL 378 H 0.15 0.79 0.21 -0.55 8.24 8.85 2jv6A17 VAL 378 HA 0.07 0.24 0.92 -0.75 4.13 4.62 2jv6A17 VAL 378 HB 0.16 -0.05 0.08 -0.04 2.12 2.28 2jv6A17 VAL 378 HG13 0.07 0.00 -0.15 -0.04 0.97 0.85 2jv6A17 VAL 378 HG23 0.25 -0.02 -0.23 -0.04 0.95 0.91 2jv6A17 GLY 379 H 0.04 0.58 0.16 -0.55 8.43 8.66 2jv6A17 GLY 379 HA2 0.04 -0.01 0.33 -0.51 4.01 3.86 2jv6A17 GLY 379 HA3 0.02 0.17 0.57 -0.51 4.01 4.26 2jv6A17 THR 380 H 0.04 0.32 0.14 -0.55 8.28 8.24 2jv6A17 THR 380 HA 0.05 0.17 0.57 -0.75 4.39 4.42 2jv6A17 THR 380 HB 0.04 -0.07 0.06 -0.04 4.32 4.31 2jv6A17 THR 380 HG23 0.12 0.02 -0.06 -0.04 1.22 1.25 2jv6A17 GLY 381 H 0.02 0.14 0.12 -0.55 8.43 8.17 2jv6A17 GLY 381 HA2 0.00 0.02 0.34 -0.51 4.01 3.87 2jv6A17 GLY 381 HA3 0.01 0.12 0.80 -0.51 4.01 4.42 2jv6A17 ASP 382 H -0.00 0.11 0.18 -0.55 8.40 8.14 2jv6A17 ASP 382 HA -0.01 0.14 0.68 -0.75 4.63 4.69 2jv6A17 ASP 382 HB2 -0.01 0.04 0.08 -0.04 2.71 2.78 2jv6A17 ASP 382 HB3 -0.01 -0.01 0.14 -0.04 2.70 2.79 2jv6A17 SER 383 H -0.00 0.01 -0.05 -0.55 8.46 7.87 2jv6A17 SER 383 HA -0.02 -0.02 0.13 -0.75 4.49 3.83 2jv6A17 SER 383 HB2 0.00 0.30 -0.10 -0.04 3.95 4.11 2jv6A17 SER 383 HB3 -0.01 0.01 -0.35 -0.04 3.93 3.54 2jv6A17 ARG 384 H -0.01 0.62 -0.24 -0.55 8.46 8.28 2jv6A17 ARG 384 HA -0.02 0.24 0.79 -0.75 4.34 4.59 2jv6A17 ARG 384 HB2 0.03 0.10 -0.42 -0.04 1.90 1.57 2jv6A17 ARG 384 HB3 0.02 -0.16 -0.72 -0.04 1.80 0.90 2jv6A17 ARG 384 HG2 0.00 0.07 -0.16 -0.04 1.67 1.54 2jv6A17 ARG 384 HG3 0.02 -0.04 -0.28 -0.04 1.67 1.32 2jv6A17 ARG 384 HD2 0.02 -0.11 -0.34 -0.04 3.22 2.75 2jv6A17 ARG 384 HD3 0.01 -0.04 -0.08 -0.04 3.22 3.07 2jv6A17 LEU 385 H -0.04 0.57 0.29 -0.55 8.37 8.65 2jv6A17 LEU 385 HA -0.02 0.16 0.88 -0.75 4.35 4.61 2jv6A17 LEU 385 HB2 -0.63 -0.06 0.03 -0.04 1.64 0.94 2jv6A17 LEU 385 HB3 -0.37 -0.03 0.11 -0.04 1.64 1.32 2jv6A17 LEU 385 HG -0.27 0.17 -0.14 -0.04 1.64 1.36 2jv6A17 LEU 385 HD13 -0.61 -0.06 0.06 -0.04 0.93 0.29 2jv6A17 LEU 385 HD23 -0.10 0.04 -0.10 -0.04 0.89 0.68 2jv6A17 THR 386 H 0.23 0.23 0.22 -0.55 8.28 8.41 2jv6A17 THR 386 HA 0.34 0.25 0.83 -0.75 4.39 5.05 2jv6A17 THR 386 HB 0.12 0.07 -0.23 -0.04 4.32 4.24 2jv6A17 THR 386 HG23 0.05 -0.02 -0.08 -0.04 1.22 1.13 2jv6A17 TYR 387 H 0.30 0.62 0.23 -0.55 8.29 8.89 2jv6A17 TYR 387 HA 0.06 0.09 0.78 -0.75 4.56 4.74 2jv6A17 TYR 387 HB2 -0.23 0.00 -0.14 -0.04 3.06 2.65 2jv6A17 TYR 387 HB3 -0.01 -0.05 0.09 -0.04 2.98 2.97 2jv6A17 TYR 387 HD2 -0.23 -0.01 -0.14 -0.04 7.15 6.72 2jv6A17 TYR 387 HE2 -0.45 -0.03 0.04 -0.04 6.85 6.37 2jv6A17 GLN 388 H -0.33 0.15 0.16 -0.55 8.47 7.91 2jv6A17 GLN 388 HA -0.49 0.10 0.73 -0.75 4.36 3.95 2jv6A17 GLN 388 HB2 -0.12 -0.01 0.15 -0.04 2.15 2.12 2jv6A17 GLN 388 HB3 -0.42 -0.00 0.13 -0.04 2.02 1.68 2jv6A17 GLN 388 HG2 -0.77 -0.01 -0.11 -0.04 2.40 1.47 2jv6A17 GLN 388 HG3 -1.15 0.05 0.10 -0.04 2.39 1.35 2jv6A17 GLN 388 HE21 0.47 -0.03 -0.06 -0.04 6.97 7.31 2jv6A17 GLN 388 HE22 0.08 0.01 -0.02 -0.04 7.69 7.71 2jv6A17 TRP 389 H -0.39 0.83 0.46 -0.55 7.97 8.32 2jv6A17 TRP 389 HA -0.22 0.13 0.69 -0.75 4.62 4.46 2jv6A17 TRP 389 HB2 -0.09 0.00 -0.13 -0.04 3.23 2.97 2jv6A17 TRP 389 HB3 -0.09 -0.01 -0.12 -0.04 3.23 2.97 2jv6A17 TRP 389 HD1 0.06 0.00 -0.31 -0.04 7.22 6.94 2jv6A17 TRP 389 HE1 -0.32 0.63 -0.20 -0.04 10.20 10.27 2jv6A17 TRP 389 HE3 0.01 -0.07 0.07 -0.04 7.59 7.56 2jv6A17 TRP 389 HZ2 -0.03 0.14 0.15 -0.04 7.44 7.65 2jv6A17 TRP 389 HZ3 0.04 0.04 0.09 -0.04 7.13 7.26 2jv6A17 TRP 389 HH2 0.03 0.06 0.09 -0.04 7.19 7.32 2jv6A17 HIS 390 H 0.50 0.24 0.05 -0.55 8.41 8.66 2jv6A17 HIS 390 HA 0.08 0.08 0.79 -0.75 4.63 4.84 2jv6A17 HIS 390 HB2 0.08 0.06 0.10 -0.04 3.26 3.46 2jv6A17 HIS 390 HB3 0.05 -0.15 -0.02 -0.04 3.20 3.03 2jv6A17 HIS 390 HD2 -0.21 0.06 -0.11 -0.04 6.97 6.67 2jv6A17 HIS 390 HE1 -0.13 0.02 -0.03 -0.04 7.75 7.56 2jv6A17 LYS 391 H 0.15 0.74 0.08 -0.55 8.42 8.83 2jv6A17 LYS 391 HA 0.13 0.07 0.84 -0.75 4.32 4.60 2jv6A17 LYS 391 HB2 0.07 0.01 -0.03 -0.04 1.87 1.89 2jv6A17 LYS 391 HB3 0.10 0.07 0.11 -0.04 1.79 2.03 2jv6A17 LYS 391 HG2 0.05 0.21 -0.20 -0.04 1.46 1.48 2jv6A17 LYS 391 HG3 0.07 -0.12 0.03 -0.04 1.46 1.39 2jv6A17 LYS 391 HD2 0.00 -0.06 -0.03 -0.04 1.69 1.56 2jv6A17 LYS 391 HD3 -0.04 0.08 -0.17 -0.04 1.68 1.51 2jv6A17 LYS 391 HE2 -0.08 -0.04 -0.15 -0.04 2.99 2.68 2jv6A17 LYS 391 HE3 -0.01 0.09 -0.07 -0.04 2.99 2.96 2jv6A17 GLU 392 H 0.09 0.17 0.12 -0.55 8.60 8.43 2jv6A17 GLU 392 HA 0.07 -0.04 0.28 -0.75 4.29 3.84 2jv6A17 GLU 392 HB2 0.02 0.07 0.05 -0.04 2.09 2.19 2jv6A17 GLU 392 HB3 0.04 0.06 0.14 -0.04 1.99 2.19 2jv6A17 GLU 392 HG2 0.07 -0.02 0.10 -0.04 2.34 2.45 2jv6A17 GLU 392 HG3 0.02 0.06 0.06 -0.04 2.34 2.44 2jv6A17 GLY 393 H 0.05 -0.18 0.15 -0.55 8.43 7.90 2jv6A17 GLY 393 HA2 0.02 0.07 0.30 -0.51 4.01 3.88 2jv6A17 GLY 393 HA3 0.05 0.19 0.72 -0.51 4.01 4.46 2jv6A17 SER 394 H 0.07 -0.24 0.04 -0.55 8.46 7.77 2jv6A17 SER 394 HA 0.10 0.06 0.49 -0.75 4.49 4.39 2jv6A17 SER 394 HB2 0.17 0.18 -0.15 -0.04 3.95 4.11 2jv6A17 SER 394 HB3 0.08 -0.18 -0.03 -0.04 3.93 3.75 2jv6A17 SER 395 H 0.07 0.15 0.20 -0.55 8.46 8.33 2jv6A17 SER 395 HA 0.01 0.16 0.42 -0.75 4.49 4.33 2jv6A17 SER 395 HB2 0.03 -0.00 0.06 -0.04 3.95 4.00 2jv6A17 SER 395 HB3 0.02 0.07 0.12 -0.04 3.93 4.10 2jv6A17 ILE 396 H -0.09 -0.07 -0.43 -0.55 8.25 7.10 2jv6A17 ILE 396 HA -0.13 0.21 0.60 -0.75 4.18 4.10 2jv6A17 ILE 396 HB -0.68 -0.02 0.02 -0.04 1.89 1.16 2jv6A17 ILE 396 HG12 -0.19 0.04 0.08 -0.04 1.49 1.38 2jv6A17 ILE 396 HG13 -0.22 0.04 0.05 -0.04 1.21 1.04 2jv6A17 ILE 396 HG23 -0.30 -0.03 -0.15 -0.04 0.93 0.41 2jv6A17 ILE 396 HD13 -0.38 0.01 -0.02 -0.04 0.88 0.45 2jv6A17 GLY 397 H -0.04 0.45 -0.34 -0.55 8.43 7.95 2jv6A17 GLY 397 HA2 -0.01 0.08 0.24 -0.51 4.01 3.81 2jv6A17 GLY 397 HA3 -0.03 0.17 0.57 -0.51 4.01 4.21 2jv6A17 LYS 398 H -0.03 -0.04 -0.30 -0.55 8.42 7.50 2jv6A17 LYS 398 HA 0.02 0.26 0.46 -0.75 4.32 4.30 2jv6A17 LYS 398 HB2 0.01 0.09 -0.08 -0.04 1.87 1.84 2jv6A17 LYS 398 HB3 0.06 -0.08 -0.07 -0.04 1.79 1.66 2jv6A17 LYS 398 HG2 0.06 0.05 0.02 -0.04 1.46 1.55 2jv6A17 LYS 398 HG3 0.12 0.05 -0.00 -0.04 1.46 1.58 2jv6A17 LYS 398 HD2 0.16 0.04 -0.21 -0.04 1.69 1.63 2jv6A17 LYS 398 HD3 0.08 -0.10 -0.01 -0.04 1.68 1.62 2jv6A17 LYS 398 HE2 0.10 -0.00 0.05 -0.04 2.99 3.11 2jv6A17 LYS 398 HE3 0.23 0.03 0.07 -0.04 2.99 3.27